2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide

C14H20N2O3 — CID 106296589

IUPAC2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H20N2O3/c1-10-3-2-4-11(15)12(10)13(18)16-14(9-17)5-7-19-8-6-14/h2-4,17H,5-9,15H2,1H3,(H,16,18)
InChIKeyNJKVJHBJQHZSAU-UHFFFAOYSA-N
MW264.32 g/mol
LogP0.85
Rot. Bonds3

About 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide (PubChem CID 106296589) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide.

Molecular Properties

Compound Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
PubChem CID106296589
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide
SMILESCc1cccc(N)c1C(=O)NC1(CO)CCOCC1
InChIInChI=1S/C14H20N2O3/c1-10-3-2-4-11(15)12(10)13(18)16-14(9-17)5-7-19-8-6-14/h2-4,17H,5-9,15H2,1H3,(H,16,18)
InChIKeyNJKVJHBJQHZSAU-UHFFFAOYSA-N
XLogP0.85
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 50.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methoxybenzamide
CID 106296667
N-[4-(hydroxymethyl)oxan-4-yl]-2,4-dimethylfuran-3-carboxamide
CID 136541245
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106298371
2-bromo-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 104630465
2,6-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]-3-methylbenzamide
CID 106297385
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-5-methylbenzamide
CID 106296683
N-[4-(hydroxymethyl)oxan-4-yl]-4-methyl-1,2-oxazole-5-carboxamide
CID 113435034
N-[4-(hydroxymethyl)oxan-4-yl]-3-methylthiophene-2-carboxamide
CID 113358062
N-[4-(hydroxymethyl)oxan-4-yl]-4,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 106297578
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-4-methylbenzamide
CID 103954122
2-amino-4,5-difluoro-N-[4-(hydroxymethyl)oxan-4-yl]benzamide
CID 106296686
2-amino-6-methyl-N-(2-morpholin-4-ylethyl)benzamide
CID 16793479

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide?
The IUPAC name of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide (CID 106296589) is 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide.
What is the SMILES notation for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide?
The canonical SMILES for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide is Cc1cccc(N)c1C(=O)NC1(CO)CCOCC1.
What is the InChIKey of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide?
The InChIKey is NJKVJHBJQHZSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-10-3-2-4-11(15)12(10)13(18)16-14(9-17)5-7-19-8-6-14/h2-4,17H,5-9,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide?
2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide has a molecular weight of 264.32 g/mol, XLogP of 0.85, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-(hydroxymethyl)oxan-4-yl]-6-methylbenzamide is sourced from PubChem (CID 106296589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).